![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: N9ZMQ
Calculation Name: 1ORJ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1ORJ
Chain ID: A
UniProt ID: O67806
Base Structure: X-ray
Registration Date: 2023-06-22
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 126 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1148084.860579 |
---|---|
FMO2-HF: Nuclear repulsion | 1096404.563133 |
FMO2-HF: Total energy | -51680.297446 |
FMO2-MP2: Total energy | -51833.964677 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026765/ligand_interaction/ligand_F026765.png)
Ligand Interaction
![ligand interaction](./Kdata/F026765/ligand_interaction/ligand_interaction_F026765.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1002:ARG)
Summations of interaction energy for
fragment #1(A:1002:ARG)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-168.714 | -169.148 | 19.5 | -9.389 | -9.676 | -0.097 |
Interaction energy analysis for fragmet #1(A:1002:ARG)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 1004 | ILE | 0 | 0.103 | 0.059 | 3.816 | -4.538 | -2.711 | -0.011 | -0.822 | -0.993 | 0.005 |
4 | A | 1005 | ALA | 0 | 0.047 | 0.016 | 5.816 | 2.322 | 2.322 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 1006 | GLU | -1 | -0.884 | -0.926 | 4.999 | -31.747 | -31.747 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 1007 | ALA | 0 | -0.042 | -0.002 | 7.226 | 1.068 | 1.068 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 1008 | TYR | 0 | 0.001 | -0.003 | 8.669 | 1.916 | 1.916 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 1009 | PHE | 0 | -0.021 | -0.007 | 10.665 | 1.739 | 1.739 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 1010 | GLN | 0 | 0.007 | 0.009 | 10.568 | -1.917 | -1.917 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 1011 | ASN | 0 | -0.015 | -0.039 | 7.947 | 2.394 | 2.394 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 1012 | MET | 0 | -0.043 | -0.013 | 10.849 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 1013 | VAL | 0 | -0.038 | -0.006 | 13.905 | 1.447 | 1.447 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 1014 | GLU | -1 | -0.832 | -0.929 | 15.098 | -15.568 | -15.568 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 1015 | THR | 0 | -0.080 | -0.037 | 17.704 | 0.594 | 0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 1016 | ALA | 0 | 0.053 | 0.016 | 17.885 | -0.636 | -0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 1017 | THR | 0 | 0.023 | 0.018 | 18.936 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 1018 | PRO | 0 | 0.003 | -0.012 | 17.500 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 1019 | LEU | 0 | 0.016 | 0.013 | 12.941 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 1020 | GLU | -1 | -0.860 | -0.937 | 16.404 | -13.288 | -13.288 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 1021 | GLN | 0 | 0.019 | 0.013 | 18.974 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 1022 | ILE | 0 | -0.027 | -0.006 | 13.662 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 1023 | ILE | 0 | 0.012 | 0.003 | 14.523 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 1024 | LEU | 0 | 0.022 | 0.016 | 17.009 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 1025 | LEU | 0 | -0.038 | -0.003 | 18.865 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 1026 | TYR | 0 | 0.002 | -0.028 | 12.435 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 1027 | ASP | -1 | -0.810 | -0.886 | 18.101 | -12.789 | -12.789 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 1028 | LYS | 1 | 0.764 | 0.859 | 20.676 | 10.832 | 10.832 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 1029 | ALA | 0 | 0.013 | -0.005 | 20.035 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 1030 | ILE | 0 | -0.014 | -0.008 | 17.069 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 1031 | GLU | -1 | -0.755 | -0.848 | 21.540 | -9.920 | -9.920 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 1032 | CYS | 0 | -0.056 | -0.029 | 25.011 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 1033 | LEU | 0 | 0.008 | -0.004 | 21.609 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 1034 | GLU | -1 | -0.824 | -0.928 | 23.313 | -11.151 | -11.151 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 1035 | ARG | 1 | 0.773 | 0.857 | 26.296 | 8.772 | 8.772 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 1036 | ALA | 0 | 0.010 | -0.002 | 28.139 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 1037 | ILE | 0 | -0.027 | -0.020 | 24.588 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 1038 | GLU | -1 | -0.936 | -0.947 | 29.064 | -8.470 | -8.470 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 1039 | ILE | 0 | -0.048 | -0.029 | 31.592 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 1040 | TYR | 0 | -0.035 | -0.030 | 30.878 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 1041 | ASP | -1 | -0.859 | -0.925 | 33.490 | -8.395 | -8.395 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 1042 | GLN | 0 | -0.010 | -0.002 | 36.491 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 1043 | VAL | 0 | 0.032 | 0.026 | 35.537 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 1044 | ASN | 0 | -0.011 | 0.002 | 38.801 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 1045 | GLU | -1 | -0.818 | -0.916 | 41.725 | -6.887 | -6.887 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 1046 | LEU | 0 | -0.021 | -0.005 | 41.553 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 1047 | GLU | -1 | -0.845 | -0.912 | 41.922 | -6.942 | -6.942 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 1048 | LYS | 1 | 0.915 | 0.946 | 37.862 | 7.168 | 7.168 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 1049 | ARG | 1 | 0.878 | 0.929 | 36.990 | 7.087 | 7.087 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 1050 | LYS | 1 | 0.843 | 0.916 | 36.746 | 6.873 | 6.873 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 1051 | GLU | -1 | -0.733 | -0.837 | 34.409 | -8.490 | -8.490 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 1052 | PHE | 0 | -0.022 | -0.005 | 30.864 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 1053 | VAL | 0 | -0.018 | -0.023 | 31.934 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 1054 | GLU | -1 | -0.844 | -0.893 | 32.423 | -8.433 | -8.433 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 1055 | ASN | 0 | -0.072 | -0.051 | 29.276 | -0.417 | -0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 1056 | ILE | 0 | 0.012 | 0.003 | 27.223 | -0.444 | -0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 1057 | ASP | -1 | -0.908 | -0.946 | 27.471 | -9.809 | -9.809 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 1058 | ARG | 1 | 0.834 | 0.916 | 27.456 | 8.829 | 8.829 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 1059 | VAL | 0 | -0.019 | -0.008 | 22.220 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 1060 | TYR | 0 | 0.008 | 0.004 | 22.941 | -0.752 | -0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 1061 | ASP | -1 | -0.877 | -0.939 | 23.884 | -11.128 | -11.128 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 1062 | ILE | 0 | -0.062 | -0.030 | 20.512 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 1063 | ILE | 0 | -0.005 | -0.007 | 17.630 | -0.750 | -0.750 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 1064 | SER | 0 | -0.010 | -0.010 | 19.153 | -0.809 | -0.809 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 1065 | ALA | 0 | -0.032 | 0.003 | 20.783 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 1066 | LEU | 0 | -0.020 | -0.006 | 15.884 | -0.585 | -0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 1067 | LYS | 1 | 0.847 | 0.896 | 15.976 | 15.959 | 15.959 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 1068 | SER | 0 | -0.084 | -0.056 | 16.660 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 1069 | PHE | 0 | -0.059 | -0.038 | 17.169 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 1070 | LEU | 0 | -0.060 | -0.010 | 11.181 | -0.823 | -0.823 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 1071 | ASP | -1 | -0.806 | -0.898 | 11.764 | -20.606 | -20.606 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 1072 | HIS | 0 | -0.038 | -0.038 | 11.616 | -2.002 | -2.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 1073 | GLU | -1 | -0.902 | -0.926 | 12.318 | -18.938 | -18.938 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 1074 | LYS | 1 | 0.807 | 0.886 | 11.448 | 18.014 | 18.014 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 1075 | GLY | 0 | 0.100 | 0.061 | 8.742 | -1.999 | -1.999 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 1076 | LYS | 1 | 0.739 | 0.854 | 5.148 | 30.354 | 30.354 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 1077 | GLU | -1 | -0.793 | -0.904 | 1.692 | -107.067 | -109.986 | 17.576 | -8.029 | -6.628 | -0.099 |
77 | A | 1078 | ILE | 0 | -0.045 | -0.009 | 2.351 | 0.414 | 1.072 | 1.935 | -0.538 | -2.055 | -0.003 |
78 | A | 1079 | ALA | 0 | 0.091 | 0.051 | 5.435 | 4.057 | 4.057 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 1080 | LYS | 1 | 0.853 | 0.938 | 8.973 | 24.487 | 24.487 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 1081 | ASN | 0 | -0.001 | -0.021 | 5.780 | 6.127 | 6.127 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 1082 | LEU | 0 | 0.064 | 0.029 | 7.476 | 2.172 | 2.172 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 1083 | ASP | -1 | -0.792 | -0.865 | 10.268 | -17.038 | -17.038 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 1084 | THR | 0 | -0.074 | -0.019 | 12.378 | 2.131 | 2.131 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 1085 | ILE | 0 | 0.038 | 0.022 | 9.675 | 1.489 | 1.489 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 1086 | TYR | 0 | 0.086 | 0.049 | 13.718 | 0.833 | 0.833 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 1087 | THR | 0 | -0.036 | -0.034 | 15.975 | 1.376 | 1.376 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 1088 | ILE | 0 | -0.019 | 0.003 | 15.651 | 0.970 | 0.970 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 1089 | ILE | 0 | 0.031 | 0.024 | 15.893 | 0.938 | 0.938 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 1090 | LEU | 0 | 0.009 | 0.003 | 19.559 | 0.758 | 0.758 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 1091 | ASN | 0 | -0.030 | -0.028 | 21.738 | 0.845 | 0.845 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 1092 | THR | 0 | -0.041 | -0.024 | 21.789 | 0.555 | 0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 1093 | LEU | 0 | 0.008 | 0.002 | 22.592 | 0.548 | 0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 1094 | VAL | 0 | 0.004 | 0.015 | 25.779 | 0.541 | 0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 1095 | LYS | 1 | 0.767 | 0.899 | 26.837 | 10.988 | 10.988 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 1096 | VAL | 0 | -0.006 | -0.012 | 29.470 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 1097 | ASP | -1 | -0.905 | -0.937 | 31.353 | -9.483 | -9.483 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 1098 | LYS | 1 | 0.818 | 0.913 | 28.088 | 9.979 | 9.979 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 1099 | THR | 0 | 0.011 | -0.004 | 28.480 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 1100 | LYS | 1 | 0.841 | 0.898 | 28.078 | 8.775 | 8.775 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 1101 | GLU | -1 | -0.829 | -0.898 | 25.715 | -11.419 | -11.419 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 1102 | GLU | -1 | -0.768 | -0.872 | 23.963 | -11.533 | -11.533 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 1103 | LEU | 0 | 0.026 | -0.001 | 22.889 | -0.512 | -0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 1104 | GLN | 0 | 0.011 | -0.004 | 22.915 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 1105 | LYS | 1 | 0.858 | 0.921 | 20.016 | 11.892 | 11.892 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 1106 | ILE | 0 | 0.012 | 0.014 | 18.510 | -0.648 | -0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 1107 | LEU | 0 | -0.027 | 0.001 | 18.030 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 1108 | GLU | -1 | -0.882 | -0.943 | 17.510 | -13.358 | -13.358 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 1109 | ILE | 0 | -0.014 | 0.002 | 13.120 | -0.539 | -0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 1110 | LEU | 0 | -0.039 | -0.017 | 13.634 | -0.838 | -0.838 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 1111 | LYS | 1 | 0.835 | 0.923 | 14.692 | 11.944 | 11.944 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 1112 | ASP | -1 | -0.892 | -0.963 | 10.013 | -21.254 | -21.254 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 1113 | LEU | 0 | -0.020 | 0.000 | 8.974 | -1.168 | -1.168 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 1114 | ARG | 1 | 0.832 | 0.895 | 10.670 | 13.333 | 13.333 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 1115 | GLU | -1 | -0.958 | -0.974 | 11.636 | -17.682 | -17.682 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 1116 | ALA | 0 | 0.016 | 0.007 | 6.746 | -0.535 | -0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 1117 | TRP | 0 | -0.038 | -0.032 | 8.719 | -1.254 | -1.254 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 1118 | GLU | -1 | -0.868 | -0.945 | 10.923 | -14.480 | -14.480 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 1119 | GLU | -1 | -0.803 | -0.884 | 8.360 | -22.848 | -22.848 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 1120 | VAL | 0 | -0.030 | -0.018 | 7.787 | -0.654 | -0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 1121 | LYS | 1 | 0.902 | 0.947 | 10.243 | 14.768 | 14.768 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 1122 | LYS | 1 | 0.925 | 0.976 | 13.181 | 17.523 | 17.523 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 1123 | LYS | 1 | 0.714 | 0.826 | 6.539 | 25.450 | 25.450 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 1124 | VAL | 0 | -0.001 | 0.007 | 12.075 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 1125 | HIS | 0 | 0.029 | 0.019 | 14.225 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 1126 | HIS | 0 | -0.124 | -0.054 | 15.590 | 0.889 | 0.889 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 1127 | HIS | 0 | -0.022 | 0.013 | 14.635 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |